[(2R,3R,4R,5R,6S)-5-azido-6-ethoxycarbothioylsulfanyl-4-oxidanyl-2-(phenylmethoxymethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-5-azido-6-ethoxycarbothioylsulfanyl-4-oxidanyl-2-(phenylmethoxymethyl)oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-5-azido-2-(benzyloxymethyl)-6-ethoxycarbothioylsulfanyl-4-hydroxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R,6S)-5-azido-6-[[ethoxy(sulfanylidene)methyl]thio]-4-hydroxy-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-5-azido-6-ethoxycarbothioylsulfanyl-4-hydroxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-5-azido-2-(benzoxymethyl)-6-(ethoxycarbothioylthio)-4-hydroxy-tetrahydropyran-3-yl] ester Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=O)C)O)N=[N+]=[N-]

Isomeric SMILES

CCOC(=S)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OC(=O)C)O)N=[N+]=[N-]

InChI

InChI=1S/C18H23N3O6S2/c1-3-25-18(28)29-17-14(20-21-19)15(23)16(26-11(2)22)13(27-17)10-24-9-12-7-5-4-6-8-12/h4-8,13-17,23H,3,9-10H2,1-2H3/t13-,14-,15-,16+,17+/m1/s1